Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 381 | |
|---|---|---|
| Name: | methyl 2,5-dichlorobenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methyl 2,5-dichlorobenzoate | |
| Labels: | ||
| CAS: | 2905-69-3 | |
| InChi Code: | InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.17 |
experimental value |
| 4.4826 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M6.pLC50: Fathead minnow toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.17 |
experimental value |
| 1.2922 |
Tab2.Model_6: Esters P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7022201 | US EPA CompTox Dashboard |